tert-butyl N-[4-[(2S)-3-[(4-cyano-3-iodanyl-phenyl)amino]-2-methyl-2-oxidanyl-3-oxidanylidene-propoxy]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[(2S)-3-[(4-cyano-3-iodanyl-phenyl)amino]-2-methyl-2-oxidanyl-3-oxidanylidene-propoxy]phenyl]carbamate Openeye Name: tert-butyl N-[4-[(2S)-3-(4-cyano-3-iodanyl-anilino)-2-hydroxy-2-methyl-3-oxo-propoxy]phenyl]carbamate CAS Name: N-[4-[(2S)-3-(4-cyano-3-iodanylanilino)-2-hydroxy-2-methyl-3-oxopropoxy]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(2S)-3-(4-cyano-3-iodanylanilino)-2-hydroxy-2-methyl-3-oxopropoxy]phenyl]carbamate Traditional Name: N-[4-[(2S)-3-(4-cyano-3-iodanyl-anilino)-2-hydroxy-3-keto-2-methyl-propoxy]phenyl]carbamic acid tert-butyl ester Formula: C22H24IN3O5 MolecularWeight: 535.347684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C=C2)C#N)I)O

Isomeric SMILES

C[C@](COC1=CC=C(C=C1)NC(=O)OC(C)(C)C)(C(=O)NC2=CC(=C(C=C2)C#N)[125I])O

InChI

InChI=1S/C22H24IN3O5/c1-21(2,3)31-20(28)26-15-7-9-17(10-8-15)30-13-22(4,29)19(27)25-16-6-5-14(12-24)18(23)11-16/h5-11,29H,13H2,1-4H3,(H,25,27)(H,26,28)/t22-/m0/s1/i23-2